(4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol

C16H16N2O2 — CID 91515506

IUPAC(4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol
SMILESOC(O)C1=NC(c2ccccc2)C(c2ccccc2)N1
InChIInChI=1S/C16H16N2O2/c19-16(20)15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,13-14,16,19-20H,(H,17,18)
InChIKeyYZTQMMHIZADKPG-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.78
Rot. Bonds3

About (4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol

(4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol (PubChem CID 91515506) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol.

Molecular Properties

Compound Name(4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol
PubChem CID91515506
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol
SMILESOC(O)C1=NC(c2ccccc2)C(c2ccccc2)N1
InChIInChI=1S/C16H16N2O2/c19-16(20)15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,13-14,16,19-20H,(H,17,18)
InChIKeyYZTQMMHIZADKPG-UHFFFAOYSA-N
XLogP1.78
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl]pyridine
CID 68568343
2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68566282
2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol
CID 59655379
(4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine
CID 11795470
(4S,5R)-2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid
CID 68569841
2-benzyl-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68573876
(4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 91220935
(4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole
CID 59655396
(4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 131848223
(4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 102198802
(4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole
CID 10592398
(4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11967745

Frequently Asked Questions

What is the IUPAC name of (4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol?
The IUPAC name of (4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol (CID 91515506) is (4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol.
What is the SMILES notation for (4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol?
The canonical SMILES for (4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol is OC(O)C1=NC(c2ccccc2)C(c2ccccc2)N1.
What is the InChIKey of (4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol?
The InChIKey is YZTQMMHIZADKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(20)15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,13-14,16,19-20H,(H,17,18).
What are the key properties of (4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol?
(4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol has a molecular weight of 268.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol is sourced from PubChem (CID 91515506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).